3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

C18H15FN2OS — CID 7206034

IUPAC3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2cccc(F)c2)nn1
InChIInChI=1S/C18H15FN2OS/c1-22-17-8-3-2-7-15(17)16-9-10-18(21-20-16)23-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3
InChIKeyDKWFBDOOOUEADU-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.58
Rot. Bonds5

About 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (PubChem CID 7206034) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
PubChem CID7206034
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2cccc(F)c2)nn1
InChIInChI=1S/C18H15FN2OS/c1-22-17-8-3-2-7-15(17)16-9-10-18(21-20-16)23-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3
InChIKeyDKWFBDOOOUEADU-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (CID 7206034) is 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is COc1ccccc1-c1ccc(SCc2cccc(F)c2)nn1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The InChIKey is DKWFBDOOOUEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-22-17-8-3-2-7-15(17)16-9-10-18(21-20-16)23-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine has a molecular weight of 326.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is sourced from PubChem (CID 7206034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).